SCHEMBL3451100

SCHEMBL3451100

CC(C)(C)CN(Cc1ccc(CCCOS(C)(=O)=O)cc1)c1ccnc(C#N)n1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.64
GPR4 P46093 6/20 0.49
FGFR4 P22455 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14528305 0.85 CTSK (0.43) CTSKGPR4
SCHEMBL3450480 0.83 CTSK (0.71) CTSKGPR4
SCHEMBL3450983 0.82 CTSK (0.61) CTSKGPR4
SCHEMBL3451272 0.80 CTSK (0.70) CTSKGPR4
SCHEMBL3451395 0.79 CTSK (0.80) CTSKGPR4
SCHEMBL6219623 0.79 CTSK (0.71) CTSKGPR4FGFR4
SCHEMBL3450123 0.78 CTSK (1.00) CTSKGPR4
SCHEMBL13125033 0.78 CTSK (0.78) CTSKGPR4
SCHEMBL13125028 0.78 CTSK (0.78) CTSKGPR4
SCHEMBL13686016 0.78 CTSK (0.58) CTSKGPR4FGFR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820818-B2 Heteroaryl nitrile derivatives NOVARTIS AG (CH) 2010-10-26 US disclosed
US-7820818-B2 Heteroaryl nitrile derivatives NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2009-09-10 US disclosed
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2009-09-10 US disclosed
US-7544688-B2 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2009-06-09 US disclosed
US-7544688-B2 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2009-06-09 US disclosed
EP-1537111-B1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2007-05-02 EP disclosed
US-20060142575-A1 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1537111-A1 HETEREOARYL NITRILE DERIVATIVES Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004020441-A1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2004-03-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES CTSK, CTSS, CTSZ CTSK 1/4885GPR4 1795/4885FGFR4 1261/4885
US-20060142575-A1 Hetereoaryl nitrile derivatives CTSK, CTSZ, CTSE CTSK 1/4885GPR4 1210/4885FGFR4 1842/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.